3-[4-(dimethylaminomethyl)piperidin-1-yl]-2-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propanoic acid

Systemtic Name: 3-[4-(dimethylaminomethyl)piperidin-1-yl]-2-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propanoic acid Openeye Name: 2-benzyl-3-[4-(dimethylaminomethyl)-1-piperidyl]-2-hydroxy-3-oxo-propanoic acid CAS Name: 3-[4-(dimethylaminomethyl)-1-piperidinyl]-2-hydroxy-3-oxo-2-(phenylmethyl)propanoic acid IUPAC Name: 2-benzyl-3-[4-(dimethylaminomethyl)piperidin-1-yl]-2-hydroxy-3-oxopropanoic acid Traditional Name: 2-benzyl-3-[4-(dimethylaminomethyl)piperidino]-2-hydroxy-3-keto-propionic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCN(CC1)C(=O)C(CC2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CN(C)CC1CCN(CC1)C(=O)C(CC2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C18H26N2O4/c1-19(2)13-15-8-10-20(11-9-15)16(21)18(24,17(22)23)12-14-6-4-3-5-7-14/h3-7,15,24H,8-13H2,1-2H3,(H,22,23)